- InChI
- InChI=1S/C10H12O/c1-8-3-5-10(6-4-8)9(2)7-11/h3-7,9H,1-2H3
- InChI Key
- JTZWVKUZBNHSSW-UHFFFAOYSA-N
- Formula
- C10H12O
- SMILES
- Cc1ccc(C(C)C=O)cc1
- Molecular Weight1
- 148.20
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4124 | Relay (1.0) Calculated Property | |
| ΔfG° | 34.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -121.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.297 | Crippen Calculated Property | |
| McVol | 129.570 | ml/mol | McGowan Calculated Property |
| Pc | 3156.17 | kPa | Joback Calculated Property |
| Inp | [1210.00; 1210.00] |
|
|
| Inp | 1210.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Tboil | 492.35 | K | Relay (1.0) Calculated Property |
| Tc | 715.83 | K | Relay (1.0) Calculated Property |
| Tfus | 292.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.466 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [167.51; 404.99] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.60900e+01 | |||
| Coefficient B | 7.95840e-01 | |||
| Coefficient C | -4.80560e-04 | |||
| Coefficient D | 1.05800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 167.51 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 210.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 247.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 280.89 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 309.96 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 335.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 357.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 375.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 391.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 404.99 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0033646; 0.0002584] | Pa×s | [268.40; 506.72] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.11514e+01 | |||
| Coefficient B | 1.46465e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 268.40 | |||
| Temperature range, max. | 506.72 | |||
| η | 0.0033646 | Pa×s | 268.40 | Calculated Property |
| η | 0.0020612 | Pa×s | 294.88 | Calculated Property |
| η | 0.0013689 | Pa×s | 321.36 | Calculated Property |
| η | 0.0009676 | Pa×s | 347.84 | Calculated Property |
| η | 0.0007183 | Pa×s | 374.32 | Calculated Property |
| η | 0.0005547 | Pa×s | 400.80 | Calculated Property |
| η | 0.0004423 | Pa×s | 427.28 | Calculated Property |
| η | 0.0003621 | Pa×s | 453.76 | Calculated Property |
| η | 0.0003031 | Pa×s | 480.24 | Calculated Property |
| η | 0.0002584 | Pa×s | 506.72 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-(4'-Methylphenyl)-propanal.
Sources
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